4-(4-cyclohexylpiperazin-1-yl)-3-(methylsulfonylamino)benzoic acid

Systemtic Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(methylsulfonylamino)benzoic acid Openeye Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(methanesulfonamido)benzoic acid CAS Name: 4-(4-cyclohexyl-1-piperazinyl)-3-(methanesulfonamido)benzoic acid IUPAC Name: 4-(4-cyclohexylpiperazin-1-yl)-3-(methanesulfonamido)benzoic acid Traditional Name: 4-(4-cyclohexylpiperazino)-3-(methanesulfonamido)benzoic acid Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCN(CC2)C3CCCCC3

InChI

InChI=1S/C18H27N3O4S/c1-26(24,25)19-16-13-14(18(22)23)7-8-17(16)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h7-8,13,15,19H,2-6,9-12H2,1H3,(H,22,23)